methyl 10-hydroxy-5,6-bis(2,2,2-trifluoroethyl)decanoate

C15H24F6O3 — CID 166443202

IUPACmethyl 10-hydroxy-5,6-bis(2,2,2-trifluoroethyl)decanoate
SMILESCOC(=O)CCCC(CC(F)(F)F)C(CCCCO)CC(F)(F)F
InChIInChI=1S/C15H24F6O3/c1-24-13(23)7-4-6-12(10-15(19,20)21)11(5-2-3-8-22)9-14(16,17)18/h11-12,22H,2-10H2,1H3
InChIKeyXFCPNLUKAMUCMM-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.63
Rot. Bonds11

About methyl 10-hydroxy-5,6-bis(2,2,2-trifluoroethyl)decanoate

methyl 10-hydroxy-5,6-bis(2,2,2-trifluoroethyl)decanoate (PubChem CID 166443202) has the molecular formula C15H24F6O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is methyl 10-hydroxy-5,6-bis(2,2,2-trifluoroethyl)decanoate.

Molecular Properties

Compound Namemethyl 10-hydroxy-5,6-bis(2,2,2-trifluoroethyl)decanoate
PubChem CID166443202
Molecular FormulaC15H24F6O3
Molecular Weight366.34 g/mol
Exact Mass366.16
IUPAC Namemethyl 10-hydroxy-5,6-bis(2,2,2-trifluoroethyl)decanoate
SMILESCOC(=O)CCCC(CC(F)(F)F)C(CCCCO)CC(F)(F)F
InChIInChI=1S/C15H24F6O3/c1-24-13(23)7-4-6-12(10-15(19,20)21)11(5-2-3-8-22)9-14(16,17)18/h11-12,22H,2-10H2,1H3
InChIKeyXFCPNLUKAMUCMM-UHFFFAOYSA-N
XLogP4.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 10-hydroxy-5,6-bis(2,2,2-trifluoroethyl)decanoate?
The IUPAC name of methyl 10-hydroxy-5,6-bis(2,2,2-trifluoroethyl)decanoate (CID 166443202) is methyl 10-hydroxy-5,6-bis(2,2,2-trifluoroethyl)decanoate.
What is the SMILES notation for methyl 10-hydroxy-5,6-bis(2,2,2-trifluoroethyl)decanoate?
The canonical SMILES for methyl 10-hydroxy-5,6-bis(2,2,2-trifluoroethyl)decanoate is COC(=O)CCCC(CC(F)(F)F)C(CCCCO)CC(F)(F)F.
What is the InChIKey of methyl 10-hydroxy-5,6-bis(2,2,2-trifluoroethyl)decanoate?
The InChIKey is XFCPNLUKAMUCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6O3/c1-24-13(23)7-4-6-12(10-15(19,20)21)11(5-2-3-8-22)9-14(16,17)18/h11-12,22H,2-10H2,1H3.
What are the key properties of methyl 10-hydroxy-5,6-bis(2,2,2-trifluoroethyl)decanoate?
methyl 10-hydroxy-5,6-bis(2,2,2-trifluoroethyl)decanoate has a molecular weight of 366.34 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-hydroxy-5,6-bis(2,2,2-trifluoroethyl)decanoate is sourced from PubChem (CID 166443202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).